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Title: Materials Data on La3Sn13Rh4 by Materials Project

Abstract

SnLa3Rh4Sn12 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Rh and twelve Sn atoms. There are a spread of La–Rh bond distances ranging from 3.48–3.51 Å. There are a spread of La–Sn bond distances ranging from 3.43–3.56 Å. In the second La site, La is bonded in a 12-coordinate geometry to four Rh and twelve Sn atoms. There are three shorter (3.49 Å) and one longer (3.50 Å) La–Rh bond lengths. There are a spread of La–Sn bond distances ranging from 3.43–3.49 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.69–2.72 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are two shorter (2.69 Å) and four longer (2.71 Å) Rh–Sn bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bondmore » lengths are 2.70 Å. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a distorted cuboctahedral geometry to twelve Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.20–3.49 Å. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640274
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3Sn13Rh4; La-Rh-Sn
OSTI Identifier:
1279915
DOI:
10.17188/1279915

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La3Sn13Rh4 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1279915.
Persson, Kristin, & Project, Materials. Materials Data on La3Sn13Rh4 by Materials Project. United States. doi:10.17188/1279915.
Persson, Kristin, and Project, Materials. 2013. "Materials Data on La3Sn13Rh4 by Materials Project". United States. doi:10.17188/1279915. https://www.osti.gov/servlets/purl/1279915. Pub date:Tue Jun 25 00:00:00 EDT 2013
@article{osti_1279915,
title = {Materials Data on La3Sn13Rh4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnLa3Rh4Sn12 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Rh and twelve Sn atoms. There are a spread of La–Rh bond distances ranging from 3.48–3.51 Å. There are a spread of La–Sn bond distances ranging from 3.43–3.56 Å. In the second La site, La is bonded in a 12-coordinate geometry to four Rh and twelve Sn atoms. There are three shorter (3.49 Å) and one longer (3.50 Å) La–Rh bond lengths. There are a spread of La–Sn bond distances ranging from 3.43–3.49 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.69–2.72 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to three La and six Sn atoms. There are two shorter (2.69 Å) and four longer (2.71 Å) Rh–Sn bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a distorted cuboctahedral geometry to twelve Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.20–3.49 Å. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two Rh, and one Sn atom. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three La, two Rh, and one Sn atom.},
doi = {10.17188/1279915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {6}
}

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